1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one

C19H23N3O — CID 96570260

IUPAC1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCC(C)[C@@H]1CN(C(=O)CCc2ccncc2)c2ccccc2N1
InChIInChI=1S/C19H23N3O/c1-14(2)17-13-22(18-6-4-3-5-16(18)21-17)19(23)8-7-15-9-11-20-12-10-15/h3-6,9-12,14,17,21H,7-8,13H2,1-2H3/t17-/m0/s1
InChIKeyCZFBMOVCHVLOHI-KRWDZBQOSA-N
MW309.41 g/mol
LogP3.50
Rot. Bonds4

About 1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one

1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one (PubChem CID 96570260) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one
PubChem CID96570260
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one
SMILESCC(C)[C@@H]1CN(C(=O)CCc2ccncc2)c2ccccc2N1
InChIInChI=1S/C19H23N3O/c1-14(2)17-13-22(18-6-4-3-5-16(18)21-17)19(23)8-7-15-9-11-20-12-10-15/h3-6,9-12,14,17,21H,7-8,13H2,1-2H3/t17-/m0/s1
InChIKeyCZFBMOVCHVLOHI-KRWDZBQOSA-N
XLogP3.50
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one (CID 96570260) is 1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one is CC(C)[C@@H]1CN(C(=O)CCc2ccncc2)c2ccccc2N1.
What is the InChIKey of 1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one?
The InChIKey is CZFBMOVCHVLOHI-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O/c1-14(2)17-13-22(18-6-4-3-5-16(18)21-17)19(23)8-7-15-9-11-20-12-10-15/h3-6,9-12,14,17,21H,7-8,13H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one?
1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one has a molecular weight of 309.41 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-propan-2-yl-3,4-dihydro-2H-quinoxalin-1-yl]-3-pyridin-4-ylpropan-1-one is sourced from PubChem (CID 96570260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).